SCHEMBL2200296

SCHEMBL2200296

CCOC(=O)c1c(-c2ccncc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
APP P05067 1/20 0.46
ADORA1 P30542 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
BRAF P15056 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ELANE P08246 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FAAH O00519 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2200742 0.90 POLB (0.46) MAPTAPPADORA1LMNAPOLB
SCHEMBL2200842 0.90 NPSR1 (0.43) POLBTP53NPSR1MAPK1BRAF
SCHEMBL2198107 0.87 MAPT (0.50) MAPTAPPADORA1LMNAPOLB
SCHEMBL2201760 0.86 KMT2A (0.46) MAPTLMNAPOLBNPSR1MAPK1
SCHEMBL2200430 0.86 MAPT (0.49) MAPTAPPADORA1LMNAPOLB
SCHEMBL2201758 0.80 SCN9A (0.42) POLBTP53NPSR1ALDH1A1ELANE
SCHEMBL2201600 0.80 MAPT (0.44) MAPTLMNATP53NPSR1MAPK1
SCHEMBL12429747 0.78 CYP2C9 (0.42) LMNANPSR1CYP2C9ALDH1A1KMT2A
SCHEMBL2202900 0.78 NOTUM (0.43) BRAF
SCHEMBL2200824 0.78 PDE4D (0.47) TP53NPSR1MAPK1ALDH1A1ELANE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 MAPT 4214/4885APP 4793/4885ADORA1 232/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.